5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine

C17H21N5 — CID 23323046

IUPAC5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCC1=CC(C)(C)Nc2ccc(Cc3cnc(N)nc3N)cc21
InChIInChI=1S/C17H21N5/c1-10-8-17(2,3)22-14-5-4-11(7-13(10)14)6-12-9-20-16(19)21-15(12)18/h4-5,7-9,22H,6H2,1-3H3,(H4,18,19,20,21)
InChIKeyFINUXCYWQMOVRZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.84
Rot. Bonds2

About 5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine

5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 23323046) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine
PubChem CID23323046
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCC1=CC(C)(C)Nc2ccc(Cc3cnc(N)nc3N)cc21
InChIInChI=1S/C17H21N5/c1-10-8-17(2,3)22-14-5-4-11(7-13(10)14)6-12-9-20-16(19)21-15(12)18/h4-5,7-9,22H,6H2,1-3H3,(H4,18,19,20,21)
InChIKeyFINUXCYWQMOVRZ-UHFFFAOYSA-N
XLogP2.84
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine (CID 23323046) is 5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine is CC1=CC(C)(C)Nc2ccc(Cc3cnc(N)nc3N)cc21.
What is the InChIKey of 5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is FINUXCYWQMOVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-10-8-17(2,3)22-14-5-4-11(7-13(10)14)6-12-9-20-16(19)21-15(12)18/h4-5,7-9,22H,6H2,1-3H3,(H4,18,19,20,21).
What are the key properties of 5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine?
5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 295.39 g/mol, XLogP of 2.84, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2,4-trimethyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23323046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).